SCHEMBL11263124

SCHEMBL11263124

COC(=O)C(C(C)=O)C(C(=O)CCSC)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11261799 0.78 SMN1; SMN2 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7056919 0.77 SMN1; SMN2 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11251240 0.75 KMT2A (0.39) KMT2AMEN1NPC1SMN1; SMN2LMNA
SCHEMBL11263287 0.73 KMT2A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11261892 0.73 CYP1A1 (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11265313 0.73 HPGD (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17291147 0.72 KMT2A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12607252 0.72 MEN1 (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30264834 0.70 KMT2A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4234045 0.70 KMT2A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed